CP3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2R | C63 | sing | 1.34Å | 1.25Å | |
| O2R | HOR | sing | 0.97Å | 0.95Å | |
| C63 | O1R | doub | 1.21Å | 1.26Å | |
| C63 | C62 | sing | 1.51Å | 1.50Å | |
| C62 | C61 | sing | 1.53Å | 1.53Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C61 | C18 | sing | 1.51Å | 1.51Å | |
| C61 | H611 | sing | 1.09Å | 1.10Å | |
| C61 | H612 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.35Å | 1.35Å | Aromatic |
| C18 | C17 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | N24 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| N24 | C16 | sing | 1.36Å | 1.39Å | Aromatic |
| N24 | HN4 | sing | 0.97Å | 1.00Å | |
| C20 | C1 | sing | 1.51Å | 1.51Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C1 | N21 | sing | 1.36Å | 1.37Å | Aromatic |
| C1 | C2 | doub | 1.35Å | 1.36Å | Aromatic |
| C17 | C86 | sing | 1.51Å | 1.51Å | |
| C17 | C16 | doub | 1.35Å | 1.36Å | Aromatic |
| C86 | H861 | sing | 1.09Å | 1.10Å | |
| C86 | H862 | sing | 1.09Å | 1.10Å | |
| C86 | H863 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C15 | C14 | sing | 1.51Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | N23 | sing | 1.36Å | 1.38Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.36Å | Aromatic |
| N23 | C11 | sing | 1.36Å | 1.38Å | Aromatic |
| N23 | HN3 | sing | 0.97Å | 1.00Å | |
| C13 | C51 | sing | 1.51Å | 1.51Å | |
| C13 | C12 | sing | 1.41Å | 1.41Å | Aromatic |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | C53 | sing | 1.51Å | 1.51Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | O2M | sing | 1.34Å | 1.25Å | |
| C53 | O1M | doub | 1.21Å | 1.26Å | |
| O2M | HOM | sing | 0.97Å | 0.95Å | |
| C12 | C81 | sing | 1.51Å | 1.51Å | |
| C12 | C11 | doub | 1.35Å | 1.36Å | Aromatic |
| C81 | H811 | sing | 1.09Å | 1.10Å | |
| C81 | H812 | sing | 1.09Å | 1.10Å | |
| C81 | H813 | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C6 | sing | 1.51Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C6 | N22 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.36Å | Aromatic |
| N22 | C9 | sing | 1.36Å | 1.38Å | Aromatic |
| N22 | HN2 | sing | 0.97Å | 1.00Å | |
| C7 | C7A | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.41Å | 1.42Å | Aromatic |
| C7A | H7A1 | sing | 1.09Å | 1.10Å | |
| C7A | H7A2 | sing | 1.09Å | 1.10Å | |
| C7A | H7A3 | sing | 1.09Å | 1.10Å | |
| C8 | C41 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.35Å | 1.37Å | Aromatic |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | C43 | sing | 1.51Å | 1.52Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | O28 | sing | 1.34Å | 1.26Å | |
| C43 | O18 | doub | 1.21Å | 1.25Å | |
| O28 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | sing | 1.51Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | N21 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.35Å | 1.37Å | Aromatic |
| N21 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C31 | sing | 1.51Å | 1.53Å | |
| C2 | C2A | sing | 1.51Å | 1.52Å | |
| C2A | H2A1 | sing | 1.09Å | 1.10Å | |
| C2A | H2A2 | sing | 1.09Å | 1.10Å | |
| C2A | H2A3 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | O13 | doub | 1.21Å | 1.26Å | |
| C33 | O23 | sing | 1.34Å | 1.25Å | |
| O23 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C63 | O2R | HOR | 109.5° | 117.0° |
| O2R | C63 | O1R | 124.2° | 119.9° |
| O2R | C63 | C62 | 116.7° | 120.0° |
| O1R | C63 | C62 | 119.1° | 120.0° |
| C63 | C62 | C61 | 107.9° | 109.5° |
| C63 | C62 | H621 | 109.9° | 109.5° |
| C63 | C62 | H622 | 109.9° | 109.5° |
| C61 | C62 | H621 | 109.9° | 109.5° |
| C61 | C62 | H622 | 109.9° | 109.5° |
| C62 | C61 | C18 | 109.1° | 109.4° |
| C62 | C61 | H611 | 109.5° | 109.5° |
| C62 | C61 | H612 | 109.6° | 109.5° |
| H621 | C62 | H622 | 109.4° | 109.4° |
| C18 | C61 | H611 | 109.5° | 109.5° |
| C18 | C61 | H612 | 109.6° | 109.4° |
| C61 | C18 | C19 | 124.3° | 126.3° |
| C61 | C18 | C17 | 127.3° | 126.3° |
| H611 | C61 | H612 | 109.5° | 109.5° |
| C19 | C18 | C17 | 108.4° | 107.4° |
| C18 | C19 | N24 | 108.0° | 108.2° |
| C18 | C19 | C20 | 121.3° | 125.9° |
| C18 | C17 | C86 | 125.9° | 126.3° |
| C18 | C17 | C16 | 107.6° | 107.4° |
| N24 | C19 | C20 | 130.7° | 125.9° |
| C19 | N24 | C16 | 108.3° | 108.8° |
| C19 | N24 | HN4 | 125.8° | 125.6° |
| C19 | C20 | C1 | 117.1° | 109.4° |
| C19 | C20 | H201 | 107.5° | 109.5° |
| C19 | C20 | H202 | 107.5° | 109.5° |
| C16 | N24 | HN4 | 125.9° | 125.6° |
| N24 | C16 | C17 | 107.7° | 108.2° |
| N24 | C16 | C15 | 127.3° | 125.9° |
| C1 | C20 | H201 | 107.5° | 109.4° |
| C1 | C20 | H202 | 107.5° | 109.5° |
| C20 | C1 | N21 | 126.8° | 125.9° |
| C20 | C1 | C2 | 124.3° | 125.9° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| N21 | C1 | C2 | 108.9° | 108.3° |
| C1 | N21 | C4 | 108.2° | 108.7° |
| C1 | N21 | HN1 | 125.9° | 125.6° |
| C1 | C2 | C3 | 107.6° | 107.4° |
| C1 | C2 | C2A | 126.1° | 126.4° |
| C86 | C17 | C16 | 126.5° | 126.3° |
| C17 | C86 | H861 | 109.5° | 109.5° |
| C17 | C86 | H862 | 109.5° | 109.5° |
| C17 | C86 | H863 | 109.5° | 109.5° |
| C17 | C16 | C15 | 125.0° | 125.9° |
| H861 | C86 | H862 | 109.4° | 109.5° |
| H861 | C86 | H863 | 109.4° | 109.5° |
| H862 | C86 | H863 | 109.5° | 109.4° |
| C16 | C15 | C14 | 113.4° | 109.5° |
| C16 | C15 | H151 | 108.5° | 109.5° |
| C16 | C15 | H152 | 108.5° | 109.5° |
| C14 | C15 | H151 | 108.5° | 109.5° |
| C14 | C15 | H152 | 108.5° | 109.4° |
| C15 | C14 | N23 | 125.9° | 125.9° |
| C15 | C14 | C13 | 126.9° | 125.9° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| N23 | C14 | C13 | 107.2° | 108.2° |
| C14 | N23 | C11 | 109.0° | 108.7° |
| C14 | N23 | HN3 | 125.5° | 125.6° |
| C14 | C13 | C51 | 125.8° | 126.3° |
| C14 | C13 | C12 | 108.3° | 107.4° |
| C11 | N23 | HN3 | 125.5° | 125.6° |
| N23 | C11 | C12 | 108.2° | 108.2° |
| N23 | C11 | C10 | 123.7° | 125.9° |
| C51 | C13 | C12 | 125.9° | 126.4° |
| C13 | C51 | C52 | 109.4° | 109.5° |
| C13 | C51 | H511 | 109.5° | 109.4° |
| C13 | C51 | H512 | 109.5° | 109.5° |
| C13 | C12 | C81 | 125.6° | 126.2° |
| C13 | C12 | C11 | 107.3° | 107.5° |
| C52 | C51 | H511 | 109.5° | 109.5° |
| C52 | C51 | H512 | 109.5° | 109.5° |
| C51 | C52 | C53 | 110.1° | 109.5° |
| C51 | C52 | H521 | 109.3° | 109.5° |
| C51 | C52 | H522 | 109.3° | 109.5° |
| H511 | C51 | H512 | 109.5° | 109.5° |
| C53 | C52 | H521 | 109.3° | 109.5° |
| C53 | C52 | H522 | 109.3° | 109.5° |
| C52 | C53 | O2M | 118.2° | 120.0° |
| C52 | C53 | O1M | 118.7° | 120.0° |
| H521 | C52 | H522 | 109.5° | 109.4° |
| O2M | C53 | O1M | 123.2° | 120.0° |
| C53 | O2M | HOM | 109.5° | 117.0° |
| C81 | C12 | C11 | 127.1° | 126.3° |
| C12 | C81 | H811 | 109.5° | 109.5° |
| C12 | C81 | H812 | 109.5° | 109.4° |
| C12 | C81 | H813 | 109.5° | 109.5° |
| C12 | C11 | C10 | 128.1° | 125.8° |
| H811 | C81 | H812 | 109.5° | 109.5° |
| H811 | C81 | H813 | 109.5° | 109.5° |
| H812 | C81 | H813 | 109.5° | 109.5° |
| C11 | C10 | C6 | 109.5° | 109.8° |
| C11 | C10 | H101 | 109.5° | 109.4° |
| C11 | C10 | H102 | 109.4° | 109.5° |
| C6 | C10 | H101 | 109.5° | 109.4° |
| C6 | C10 | H102 | 109.5° | 109.4° |
| C10 | C6 | N22 | 124.7° | 126.1° |
| C10 | C6 | C7 | 127.7° | 125.7° |
| H101 | C10 | H102 | 109.5° | 109.3° |
| N22 | C6 | C7 | 107.6° | 108.2° |
| C6 | N22 | C9 | 109.3° | 108.8° |
| C6 | N22 | HN2 | 125.4° | 125.6° |
| C6 | C7 | C7A | 125.9° | 126.3° |
| C6 | C7 | C8 | 108.0° | 107.5° |
| C9 | N22 | HN2 | 125.3° | 125.6° |
| N22 | C9 | C8 | 107.6° | 108.2° |
| N22 | C9 | C5 | 124.8° | 125.9° |
| C7A | C7 | C8 | 126.1° | 126.3° |
| C7 | C7A | H7A1 | 109.5° | 109.5° |
| C7 | C7A | H7A2 | 109.5° | 109.4° |
| C7 | C7A | H7A3 | 109.5° | 109.5° |
| C7 | C8 | C41 | 125.6° | 126.3° |
| C7 | C8 | C9 | 107.6° | 107.4° |
| H7A1 | C7A | H7A2 | 109.5° | 109.5° |
| H7A1 | C7A | H7A3 | 109.5° | 109.5° |
| H7A2 | C7A | H7A3 | 109.4° | 109.5° |
| C41 | C8 | C9 | 126.8° | 126.3° |
| C8 | C41 | C42 | 110.0° | 109.5° |
| C8 | C41 | H411 | 109.4° | 109.4° |
| C8 | C41 | H412 | 109.3° | 109.5° |
| C8 | C9 | C5 | 127.6° | 125.9° |
| C42 | C41 | H411 | 109.4° | 109.4° |
| C42 | C41 | H412 | 109.4° | 109.5° |
| C41 | C42 | C43 | 111.3° | 109.5° |
| C41 | C42 | H421 | 109.0° | 109.5° |
| C41 | C42 | H422 | 109.0° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| C43 | C42 | H421 | 109.0° | 109.5° |
| C43 | C42 | H422 | 109.0° | 109.5° |
| C42 | C43 | O28 | 118.9° | 120.0° |
| C42 | C43 | O18 | 119.2° | 120.0° |
| H421 | C42 | H422 | 109.5° | 109.4° |
| O28 | C43 | O18 | 121.9° | 120.0° |
| C43 | O28 | HO8 | 109.5° | 117.0° |
| C9 | C5 | C4 | 115.4° | 109.6° |
| C9 | C5 | H51 | 108.0° | 109.5° |
| C9 | C5 | H52 | 108.0° | 109.4° |
| C4 | C5 | H51 | 108.0° | 109.4° |
| C4 | C5 | H52 | 108.0° | 109.4° |
| C5 | C4 | N21 | 124.6° | 125.8° |
| C5 | C4 | C3 | 127.2° | 125.9° |
| H51 | C5 | H52 | 109.5° | 109.4° |
| N21 | C4 | C3 | 108.2° | 108.2° |
| C4 | N21 | HN1 | 125.9° | 125.7° |
| C4 | C3 | C2 | 107.2° | 107.5° |
| C4 | C3 | C31 | 128.6° | 126.2° |
| C2 | C3 | C31 | 124.2° | 126.3° |
| C3 | C2 | C2A | 126.3° | 126.3° |
| C3 | C31 | C32 | 111.4° | 109.4° |
| C3 | C31 | H311 | 109.0° | 109.5° |
| C3 | C31 | H312 | 109.0° | 109.5° |
| C2 | C2A | H2A1 | 109.5° | 109.4° |
| C2 | C2A | H2A2 | 109.4° | 109.5° |
| C2 | C2A | H2A3 | 109.5° | 109.4° |
| H2A1 | C2A | H2A2 | 109.5° | 109.5° |
| H2A1 | C2A | H2A3 | 109.4° | 109.5° |
| H2A2 | C2A | H2A3 | 109.5° | 109.5° |
| C32 | C31 | H311 | 109.0° | 109.5° |
| C32 | C31 | H312 | 109.0° | 109.5° |
| C31 | C32 | C33 | 111.2° | 109.4° |
| C31 | C32 | H321 | 109.0° | 109.5° |
| C31 | C32 | H322 | 109.1° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| C33 | C32 | H321 | 109.1° | 109.5° |
| C33 | C32 | H322 | 109.0° | 109.5° |
| C32 | C33 | O13 | 121.4° | 120.0° |
| C32 | C33 | O23 | 116.8° | 120.0° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| O13 | C33 | O23 | 121.7° | 120.0° |
| C33 | O23 | HO3 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2R | C63 | O1R | C62 | 179.4° | 180.0° |
| O2R | C63 | C62 | C61 | 67.4° | 180.0° |
| O2R | C63 | C62 | H621 | 52.3° | 60.0° |
| O2R | C63 | C62 | H622 | 172.8° | 60.0° |
| HOR | O2R | C63 | O1R | 0.0° | 0.0° |
| HOR | O2R | C63 | C62 | 179.4° | 180.0° |
| O1R | C63 | C62 | C61 | 112.0° | 0.1° |
| O1R | C63 | C62 | H621 | 128.3° | 120.0° |
| O1R | C63 | C62 | H622 | 7.8° | 120.0° |
| C63 | C62 | C61 | H621 | 119.8° | 120.1° |
| C63 | C62 | C61 | H622 | 119.7° | 120.0° |
| C63 | C62 | H621 | H622 | 120.7° | 120.0° |
| C63 | C62 | C61 | C18 | 111.6° | 180.0° |
| C63 | C62 | C61 | H611 | 128.5° | 60.0° |
| C63 | C62 | C61 | H612 | 8.4° | 60.1° |
| C61 | C62 | H621 | H622 | 120.8° | 120.0° |
| C62 | C61 | C18 | H611 | 119.9° | 120.0° |
| C62 | C61 | C18 | H612 | 120.0° | 119.9° |
| C62 | C61 | H611 | H612 | 120.2° | 120.0° |
| C62 | C61 | C18 | C19 | 69.8° | 90.1° |
| C62 | C61 | C18 | C17 | 110.0° | 90.3° |
| H621 | C62 | C61 | C18 | 8.2° | 59.9° |
| H621 | C62 | C61 | H611 | 111.8° | 180.0° |
| H621 | C62 | C61 | H612 | 128.1° | 60.0° |
| H622 | C62 | C61 | C18 | 128.6° | 60.0° |
| H622 | C62 | C61 | H611 | 8.7° | 60.0° |
| H622 | C62 | C61 | H612 | 111.4° | 179.9° |
| C18 | C61 | H611 | H612 | 120.2° | 120.0° |
| C61 | C18 | C19 | C17 | 179.8° | 179.7° |
| C61 | C18 | C19 | N24 | 179.4° | 179.7° |
| C61 | C18 | C19 | C20 | 0.4° | 0.4° |
| C61 | C18 | C17 | C86 | 0.2° | 0.2° |
| C61 | C18 | C17 | C16 | 179.5° | 180.0° |
| H611 | C61 | C18 | C19 | 50.1° | 30.0° |
| H611 | C61 | C18 | C17 | 130.1° | 149.6° |
| H612 | C61 | C18 | C19 | 170.2° | 150.0° |
| H612 | C61 | C18 | C17 | 10.0° | 29.6° |
| C18 | C19 | N24 | C20 | 178.9° | 179.9° |
| C18 | C19 | N24 | C16 | 0.3° | 0.6° |
| C18 | C19 | N24 | HN4 | 179.7° | 179.3° |
| C18 | C19 | C20 | C1 | 158.1° | 117.1° |
| C18 | C19 | C20 | H201 | 80.8° | 2.8° |
| C18 | C19 | C20 | H202 | 37.0° | 122.9° |
| C19 | C18 | C17 | C86 | 179.6° | 179.9° |
| C19 | C18 | C17 | C16 | 0.3° | 0.4° |
| C17 | C18 | C19 | N24 | 0.4° | 0.6° |
| C17 | C18 | C19 | C20 | 179.4° | 179.3° |
| C18 | C17 | C16 | N24 | 0.1° | 0.0° |
| C18 | C17 | C86 | C16 | 179.1° | 179.7° |
| C18 | C17 | C86 | H861 | 89.6° | 89.9° |
| C18 | C17 | C86 | H862 | 150.4° | 150.0° |
| C18 | C17 | C86 | H863 | 30.4° | 30.1° |
| C18 | C17 | C16 | C15 | 179.7° | 179.4° |
| C19 | N24 | C16 | HN4 | 180.0° | 179.9° |
| N24 | C19 | C20 | C1 | 23.1° | 63.1° |
| N24 | C19 | C20 | H201 | 98.0° | 177.0° |
| N24 | C19 | C20 | H202 | 144.2° | 57.0° |
| C19 | N24 | C16 | C17 | 0.1° | 0.4° |
| C19 | N24 | C16 | C15 | 179.4° | 179.0° |
| C20 | C19 | N24 | C16 | 179.2° | 179.2° |
| C20 | C19 | N24 | HN4 | 0.8° | 0.8° |
| C19 | C20 | C1 | H201 | 121.1° | 120.0° |
| C19 | C20 | C1 | H202 | 121.1° | 120.0° |
| C19 | C20 | H201 | H202 | 116.5° | 120.1° |
| C19 | C20 | C1 | N21 | 44.2° | 64.5° |
| C19 | C20 | C1 | C2 | 138.3° | 115.4° |
| N24 | C16 | C17 | C86 | 179.4° | 179.8° |
| N24 | C16 | C17 | C15 | 179.5° | 179.4° |
| N24 | C16 | C15 | C14 | 19.7° | 69.7° |
| N24 | C16 | C15 | H151 | 100.8° | 50.3° |
| N24 | C16 | C15 | H152 | 140.3° | 170.3° |
| HN4 | N24 | C16 | C17 | 179.9° | 179.6° |
| HN4 | N24 | C16 | C15 | 0.6° | 1.0° |
| C1 | C20 | H201 | H202 | 116.6° | 120.0° |
| C20 | C1 | N21 | C2 | 177.8° | 179.9° |
| C20 | C1 | N21 | C4 | 178.9° | 179.6° |
| C20 | C1 | N21 | HN1 | 1.1° | 0.5° |
| C20 | C1 | C2 | C3 | 178.9° | 179.9° |
| C20 | C1 | C2 | C2A | 1.8° | 0.1° |
| H201 | C20 | C1 | N21 | 76.9° | 175.6° |
| H201 | C20 | C1 | C2 | 100.6° | 4.6° |
| H202 | C20 | C1 | N21 | 165.3° | 55.6° |
| H202 | C20 | C1 | C2 | 17.2° | 124.6° |
| C1 | N21 | C4 | C5 | 179.8° | 179.4° |
| C1 | N21 | C4 | HN1 | 180.0° | 180.0° |
| C1 | N21 | C4 | C3 | 0.8° | 0.6° |
| N21 | C1 | C2 | C3 | 1.0° | 0.2° |
| N21 | C1 | C2 | C2A | 179.7° | 179.8° |
| C2 | C1 | N21 | C4 | 1.1° | 0.5° |
| C1 | C2 | C3 | C4 | 0.5° | 0.1° |
| C2 | C1 | N21 | HN1 | 178.9° | 179.4° |
| C1 | C2 | C3 | C2A | 179.3° | 180.0° |
| C1 | C2 | C3 | C31 | 179.8° | 179.9° |
| C1 | C2 | C2A | H2A1 | 89.6° | 90.0° |
| C1 | C2 | C2A | H2A2 | 150.4° | 150.0° |
| C1 | C2 | C2A | H2A3 | 30.4° | 30.0° |
| C17 | C86 | H861 | H862 | 120.0° | 120.0° |
| C17 | C86 | H861 | H863 | 120.0° | 120.0° |
| C17 | C86 | H862 | H863 | 120.0° | 120.0° |
| C86 | C17 | C16 | C15 | 1.1° | 0.8° |
| C16 | C17 | C86 | H861 | 89.6° | 89.8° |
| C16 | C17 | C86 | H862 | 30.4° | 30.3° |
| C16 | C17 | C86 | H863 | 150.4° | 150.2° |
| C17 | C16 | C15 | C14 | 160.8° | 111.0° |
| C17 | C16 | C15 | H151 | 78.6° | 129.0° |
| C17 | C16 | C15 | H152 | 40.3° | 9.0° |
| H861 | C86 | H862 | H863 | 119.9° | 120.0° |
| C16 | C15 | C14 | H151 | 120.6° | 120.1° |
| C16 | C15 | C14 | H152 | 120.6° | 120.0° |
| C16 | C15 | H151 | H152 | 118.2° | 120.0° |
| C16 | C15 | C14 | N23 | 66.0° | 69.5° |
| C16 | C15 | C14 | C13 | 114.8° | 110.3° |
| C14 | C15 | H151 | H152 | 118.2° | 119.9° |
| C15 | C14 | N23 | C13 | 179.4° | 179.9° |
| C15 | C14 | N23 | C11 | 179.7° | 179.2° |
| C15 | C14 | N23 | HN3 | 0.3° | 0.9° |
| C15 | C14 | C13 | C51 | 0.6° | 0.5° |
| C15 | C14 | C13 | C12 | 179.4° | 179.5° |
| H151 | C15 | C14 | N23 | 54.6° | 50.6° |
| H151 | C15 | C14 | C13 | 124.6° | 129.6° |
| H152 | C15 | C14 | N23 | 173.5° | 170.5° |
| H152 | C15 | C14 | C13 | 5.8° | 9.7° |
| C14 | N23 | C11 | HN3 | 180.0° | 179.9° |
| N23 | C14 | C13 | C51 | 180.0° | 179.3° |
| N23 | C14 | C13 | C12 | 0.1° | 0.6° |
| C14 | N23 | C11 | C12 | 0.4° | 0.9° |
| C14 | N23 | C11 | C10 | 179.3° | 178.7° |
| C13 | C14 | N23 | C11 | 0.3° | 1.0° |
| C13 | C14 | N23 | HN3 | 179.7° | 179.0° |
| C14 | C13 | C51 | C12 | 180.0° | 180.0° |
| C14 | C13 | C51 | C52 | 72.4° | 90.0° |
| C14 | C13 | C51 | H511 | 167.6° | 150.0° |
| C14 | C13 | C51 | H512 | 47.5° | 30.0° |
| C14 | C13 | C12 | C81 | 179.8° | 180.0° |
| C14 | C13 | C12 | C11 | 0.2° | 0.1° |
| N23 | C11 | C12 | C13 | 0.4° | 0.5° |
| N23 | C11 | C12 | C81 | 180.0° | 179.5° |
| N23 | C11 | C12 | C10 | 179.7° | 179.6° |
| N23 | C11 | C10 | C6 | 70.3° | 62.9° |
| N23 | C11 | C10 | H101 | 49.7° | 57.2° |
| N23 | C11 | C10 | H102 | 169.7° | 177.0° |
| HN3 | N23 | C11 | C12 | 179.5° | 179.0° |
| HN3 | N23 | C11 | C10 | 0.8° | 1.4° |
| C13 | C51 | C52 | H511 | 120.0° | 120.0° |
| C13 | C51 | C52 | H512 | 120.0° | 120.0° |
| C13 | C51 | H511 | H512 | 120.0° | 119.9° |
| C13 | C51 | C52 | C53 | 168.0° | 180.0° |
| C13 | C51 | C52 | H521 | 72.0° | 60.0° |
| C13 | C51 | C52 | H522 | 47.9° | 60.0° |
| C51 | C13 | C12 | C81 | 0.2° | 0.1° |
| C51 | C13 | C12 | C11 | 179.7° | 179.9° |
| C12 | C13 | C51 | C52 | 107.5° | 89.9° |
| C12 | C13 | C51 | H511 | 12.5° | 30.1° |
| C12 | C13 | C51 | H512 | 132.5° | 150.0° |
| C13 | C12 | C81 | C11 | 179.5° | 180.0° |
| C13 | C12 | C81 | H811 | 89.8° | 90.0° |
| C13 | C12 | C81 | H812 | 150.3° | 150.0° |
| C13 | C12 | C81 | H813 | 30.3° | 30.0° |
| C13 | C12 | C11 | C10 | 179.3° | 179.1° |
| C52 | C51 | H511 | H512 | 120.0° | 120.1° |
| C51 | C52 | C53 | H521 | 120.1° | 120.0° |
| C51 | C52 | C53 | H522 | 120.1° | 120.1° |
| C51 | C52 | H521 | H522 | 119.7° | 120.0° |
| C51 | C52 | C53 | O2M | 93.1° | 180.0° |
| C51 | C52 | C53 | O1M | 86.8° | 0.1° |
| H511 | C51 | C52 | C53 | 48.0° | 60.1° |
| H511 | C51 | C52 | H521 | 168.0° | 180.0° |
| H511 | C51 | C52 | H522 | 72.1° | 60.0° |
| H512 | C51 | C52 | C53 | 72.1° | 60.0° |
| H512 | C51 | C52 | H521 | 48.0° | 60.0° |
| H512 | C51 | C52 | H522 | 167.9° | 180.0° |
| C53 | C52 | H521 | H522 | 119.7° | 120.0° |
| C52 | C53 | O2M | O1M | 179.9° | 179.9° |
| C52 | C53 | O2M | HOM | 179.9° | 180.0° |
| H521 | C52 | C53 | O2M | 146.8° | 60.0° |
| H521 | C52 | C53 | O1M | 33.3° | 120.0° |
| H522 | C52 | C53 | O2M | 27.0° | 59.9° |
| H522 | C52 | C53 | O1M | 153.1° | 120.0° |
| O1M | C53 | O2M | HOM | 0.0° | 0.1° |
| C12 | C81 | H811 | H812 | 120.0° | 120.0° |
| C12 | C81 | H811 | H813 | 120.0° | 120.0° |
| C12 | C81 | H812 | H813 | 120.0° | 120.0° |
| C81 | C12 | C11 | C10 | 0.3° | 0.9° |
| C11 | C12 | C81 | H811 | 89.7° | 90.0° |
| C11 | C12 | C81 | H812 | 30.3° | 30.0° |
| C11 | C12 | C81 | H813 | 150.2° | 150.0° |
| C12 | C11 | C10 | C6 | 109.3° | 117.6° |
| C12 | C11 | C10 | H101 | 130.7° | 122.4° |
| C12 | C11 | C10 | H102 | 10.7° | 2.6° |
| H811 | C81 | H812 | H813 | 120.0° | 120.0° |
| C11 | C10 | C6 | H101 | 120.0° | 120.1° |
| C11 | C10 | C6 | H102 | 120.0° | 120.2° |
| C11 | C10 | H101 | H102 | 120.0° | 119.9° |
| C11 | C10 | C6 | N22 | 75.2° | 61.3° |
| C11 | C10 | C6 | C7 | 105.1° | 118.7° |
| C6 | C10 | H101 | H102 | 120.0° | 119.8° |
| C10 | C6 | N22 | C7 | 179.7° | 180.0° |
| C10 | C6 | N22 | C9 | 179.9° | 179.2° |
| C10 | C6 | N22 | HN2 | 0.1° | 0.8° |
| C10 | C6 | C7 | C7A | 0.6° | 0.6° |
| C10 | C6 | C7 | C8 | 179.6° | 179.5° |
| H101 | C10 | C6 | N22 | 44.8° | 58.8° |
| H101 | C10 | C6 | C7 | 134.9° | 121.2° |
| H102 | C10 | C6 | N22 | 164.8° | 178.5° |
| H102 | C10 | C6 | C7 | 14.9° | 1.5° |
| C6 | N22 | C9 | HN2 | 180.0° | 180.0° |
| N22 | C6 | C7 | C7A | 179.7° | 179.4° |
| N22 | C6 | C7 | C8 | 0.1° | 0.5° |
| C6 | N22 | C9 | C8 | 0.8° | 0.8° |
| C6 | N22 | C9 | C5 | 178.3° | 178.9° |
| C7 | C6 | N22 | C9 | 0.4° | 0.8° |
| C7 | C6 | N22 | HN2 | 179.6° | 179.2° |
| C6 | C7 | C7A | C8 | 179.7° | 179.9° |
| C6 | C7 | C7A | H7A1 | 89.9° | 89.9° |
| C6 | C7 | C7A | H7A2 | 150.1° | 150.0° |
| C6 | C7 | C7A | H7A3 | 30.2° | 30.1° |
| C6 | C7 | C8 | C41 | 179.1° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| N22 | C9 | C8 | C7 | 0.8° | 0.4° |
| N22 | C9 | C8 | C41 | 179.4° | 179.6° |
| N22 | C9 | C8 | C5 | 177.4° | 179.6° |
| N22 | C9 | C5 | C4 | 64.4° | 68.3° |
| N22 | C9 | C5 | H51 | 56.5° | 51.8° |
| N22 | C9 | C5 | H52 | 174.8° | 171.7° |
| HN2 | N22 | C9 | C8 | 179.3° | 179.2° |
| HN2 | N22 | C9 | C5 | 1.8° | 1.1° |
| C7 | C7A | H7A1 | H7A2 | 120.0° | 120.0° |
| C7 | C7A | H7A1 | H7A3 | 120.0° | 120.0° |
| C7 | C7A | H7A2 | H7A3 | 120.0° | 120.0° |
| C7A | C7 | C8 | C41 | 0.6° | 0.1° |
| C7A | C7 | C8 | C9 | 179.2° | 179.9° |
| C8 | C7 | C7A | H7A1 | 89.8° | 90.0° |
| C8 | C7 | C7A | H7A2 | 30.2° | 30.1° |
| C8 | C7 | C7A | H7A3 | 150.1° | 150.0° |
| C7 | C8 | C41 | C9 | 178.3° | 180.0° |
| C7 | C8 | C41 | C42 | 94.8° | 93.8° |
| C7 | C8 | C41 | H411 | 145.1° | 26.1° |
| C7 | C8 | C41 | H412 | 25.3° | 146.1° |
| C7 | C8 | C9 | C5 | 178.2° | 179.2° |
| H7A1 | C7A | H7A2 | H7A3 | 120.0° | 120.0° |
| C8 | C41 | C42 | H411 | 120.1° | 120.0° |
| C8 | C41 | C42 | H412 | 120.1° | 120.1° |
| C8 | C41 | H411 | H412 | 119.7° | 120.0° |
| C8 | C41 | C42 | C43 | 86.9° | 176.3° |
| C8 | C41 | C42 | H421 | 33.4° | 56.2° |
| C8 | C41 | C42 | H422 | 152.9° | 63.7° |
| C41 | C8 | C9 | C5 | 3.2° | 0.8° |
| C9 | C8 | C41 | C42 | 83.5° | 86.2° |
| C9 | C8 | C41 | H411 | 36.6° | 153.9° |
| C9 | C8 | C41 | H412 | 156.4° | 33.9° |
| C8 | C9 | C5 | C4 | 118.6° | 112.2° |
| C8 | C9 | C5 | H51 | 120.5° | 127.8° |
| C8 | C9 | C5 | H52 | 2.2° | 7.9° |
| C42 | C41 | H411 | H412 | 119.8° | 120.0° |
| C41 | C42 | C43 | H421 | 120.3° | 120.0° |
| C41 | C42 | C43 | H422 | 120.3° | 120.0° |
| C41 | C42 | H421 | H422 | 119.2° | 120.0° |
| C41 | C42 | C43 | O28 | 107.1° | 174.4° |
| C41 | C42 | C43 | O18 | 73.7° | 5.7° |
| H411 | C41 | C42 | C43 | 153.0° | 63.8° |
| H411 | C41 | C42 | H421 | 86.7° | 176.2° |
| H411 | C41 | C42 | H422 | 32.8° | 56.2° |
| H412 | C41 | C42 | C43 | 33.2° | 56.2° |
| H412 | C41 | C42 | H421 | 153.5° | 63.8° |
| H412 | C41 | C42 | H422 | 87.1° | 176.2° |
| C43 | C42 | H421 | H422 | 119.2° | 120.0° |
| C42 | C43 | O28 | O18 | 179.2° | 179.9° |
| C42 | C43 | O28 | HO8 | 179.1° | 175.0° |
| H421 | C42 | C43 | O28 | 13.2° | 65.6° |
| H421 | C42 | C43 | O18 | 166.0° | 114.3° |
| H422 | C42 | C43 | O28 | 132.6° | 54.4° |
| H422 | C42 | C43 | O18 | 46.5° | 125.7° |
| O18 | C43 | O28 | HO8 | 0.0° | 5.1° |
| C9 | C5 | C4 | H51 | 120.9° | 120.1° |
| C9 | C5 | C4 | H52 | 120.9° | 120.0° |
| C9 | C5 | H51 | H52 | 117.3° | 119.9° |
| C9 | C5 | C4 | N21 | 8.0° | 71.0° |
| C9 | C5 | C4 | C3 | 172.7° | 109.0° |
| C4 | C5 | H51 | H52 | 117.3° | 119.9° |
| C5 | C4 | N21 | C3 | 179.5° | 180.0° |
| C5 | C4 | N21 | HN1 | 0.2° | 0.6° |
| C5 | C4 | C3 | C2 | 179.6° | 179.6° |
| C5 | C4 | C3 | C31 | 0.1° | 0.4° |
| H51 | C5 | C4 | N21 | 128.8° | 49.1° |
| H51 | C5 | C4 | C3 | 51.8° | 131.0° |
| H52 | C5 | C4 | N21 | 112.9° | 169.0° |
| H52 | C5 | C4 | C3 | 66.4° | 11.1° |
| N21 | C4 | C3 | C2 | 0.2° | 0.5° |
| N21 | C4 | C3 | C31 | 179.5° | 179.6° |
| C3 | C4 | N21 | HN1 | 179.2° | 179.3° |
| C4 | C3 | C2 | C31 | 179.7° | 180.0° |
| C4 | C3 | C2 | C2A | 179.8° | 179.9° |
| C4 | C3 | C31 | C32 | 112.3° | 86.1° |
| C4 | C3 | C31 | H311 | 127.4° | 33.9° |
| C4 | C3 | C31 | H312 | 8.0° | 154.0° |
| C3 | C2 | C2A | H2A1 | 89.6° | 90.0° |
| C3 | C2 | C2A | H2A2 | 30.4° | 30.0° |
| C3 | C2 | C2A | H2A3 | 150.4° | 150.0° |
| C2 | C3 | C31 | C32 | 67.4° | 93.9° |
| C2 | C3 | C31 | H311 | 52.9° | 146.1° |
| C2 | C3 | C31 | H312 | 172.3° | 26.1° |
| C31 | C3 | C2 | C2A | 0.4° | 0.1° |
| C3 | C31 | C32 | H311 | 120.3° | 120.0° |
| C3 | C31 | C32 | H312 | 120.3° | 120.0° |
| C3 | C31 | H311 | H312 | 119.1° | 120.0° |
| C3 | C31 | C32 | C33 | 72.9° | 176.1° |
| C3 | C31 | C32 | H321 | 47.4° | 56.1° |
| C3 | C31 | C32 | H322 | 166.8° | 63.9° |
| C2 | C2A | H2A1 | H2A2 | 120.0° | 120.0° |
| C2 | C2A | H2A1 | H2A3 | 120.0° | 119.9° |
| C2 | C2A | H2A2 | H2A3 | 120.0° | 120.0° |
| H2A1 | C2A | H2A2 | H2A3 | 120.0° | 120.1° |
| C32 | C31 | H311 | H312 | 119.1° | 120.0° |
| C31 | C32 | C33 | H321 | 120.2° | 120.0° |
| C31 | C32 | C33 | H322 | 120.3° | 120.0° |
| C31 | C32 | H321 | H322 | 119.2° | 120.1° |
| C31 | C32 | C33 | O13 | 171.2° | 5.7° |
| C31 | C32 | C33 | O23 | 9.7° | 174.3° |
| H311 | C31 | C32 | C33 | 166.8° | 64.0° |
| H311 | C31 | C32 | H321 | 73.0° | 176.1° |
| H311 | C31 | C32 | H322 | 46.5° | 56.1° |
| H312 | C31 | C32 | C33 | 47.4° | 56.1° |
| H312 | C31 | C32 | H321 | 167.6° | 63.9° |
| H312 | C31 | C32 | H322 | 72.9° | 176.1° |
| C33 | C32 | H321 | H322 | 119.2° | 120.0° |
| C32 | C33 | O13 | O23 | 179.1° | 180.0° |
| C32 | C33 | O23 | HO3 | 179.1° | 175.0° |
| H321 | C32 | C33 | O13 | 51.0° | 114.3° |
| H321 | C32 | C33 | O23 | 129.9° | 65.7° |
| H322 | C32 | C33 | O13 | 68.5° | 125.7° |
| H322 | C32 | C33 | O23 | 110.6° | 54.3° |
| O13 | C33 | O23 | HO3 | 0.0° | 5.0° |
